| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47 | Very low | 46.1 | Very low | 243 Ų | 243 | 156 Ų | 156 | 100% | 1.197 | 82% | 0.821 | S | S | * | * | 0 | 93 | 0 | -68.3 | -176.7 | 155.7 | 0 | 0 | 108.5 | |||||
| 2 | P | 40.7 | Very low | 46 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -105.9 | 152.2 | 178.3 | 33.8 | -20.5 | 0 | 0 | 0 | 109.7 | ||||
| 3 | T | 48.1 | Very low | 46.1 | Very low | 96 Ų | 96 | 147.4 Ų | 147.4 | 59% | 0.589 | 79% | 0.794 | S | S | * | * | cis | -168.9 | 116 | -1.1 | -80.8 | 0 | 0 | 0 | 0 | 103.9 | K5 | T3-K5 VanDerWaalsContact C-N 3.27Å; T3-K5 HydrophobicContact CG2-CB 3.88Å; T3-K5 HydrophobicContact CG2-CD 3.6Å; T3-K5 HydrophobicContact CG2-CG 3.41Å; T3-K5 VanDerWaalsContact CG2-CG 3.41Å; T3-K5 PolarHBondContact O-N 3.27Å | ||
| 4 | V | 53.7 | Low | 46.2 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 98% | 0.976 | 80% | 0.796 | S | S | * | * | trans | -76.6 | 86.3 | 169.4 | -176.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 5 | K | 47.7 | Very low | 46.9 | Very low | 177 Ų | 177 | 153.1 Ų | 153.1 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -98 | 142.8 | 171.9 | -101.2 | 171 | -174.7 | -174.8 | 0 | 108.4 | T3 | T3-K5 VanDerWaalsContact C-N 3.27Å; T3-K5 HydrophobicContact CG2-CB 3.88Å; T3-K5 HydrophobicContact CG2-CD 3.6Å; T3-K5 HydrophobicContact CG2-CG 3.41Å; T3-K5 VanDerWaalsContact CG2-CG 3.41Å; T3-K5 PolarHBondContact O-N 3.27Å | ||
| 6 | S | 46.9 | Very low | 47.7 | Very low | 94 Ų | 94 | 150.4 Ų | 150.4 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 85.7 | 45.2 | 146.5 | -170.6 | 0 | 0 | 0 | 0 | 119.1 | ||
| 7 | L | 45.7 | Very low | 48.5 | Very low | 167 Ų | 167 | 149.8 Ų | 149.8 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -134.2 | -21.2 | 152.8 | -72.6 | 176.8 | 0 | 0 | 0 | 114.2 | T9 | L7-T9 VanDerWaalsContact C-N 3.3Å; L7-T9 PolarHBondContact O-N 3.43Å |
| 8 | L | 44.3 | Very low | 49.5 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -3.9 | 174.7 | -67.2 | 171.9 | 0 | 0 | 0 | 114 | Y10 E11 | L8-Y10 PolarHBondContact O-N 3.04Å; L8-E11 PolarHBondContact O-N 2.89Å |
| 9 | T | 42.9 | Very low | 50.4 | Low | 124 Ų | 124 | 146.7 Ų | 146.7 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 28 | 170.5 | -26.6 | 0 | 0 | 0 | 0 | 112.3 | L7 | L7-T9 VanDerWaalsContact C-N 3.3Å; L7-T9 PolarHBondContact O-N 3.43Å |
| 10 | Y | 43.6 | Very low | 51 | Low | 212 Ų | 212 | 141.1 Ų | 141.1 | 83% | 0.831 | 75% | 0.75 | S | S | * | * | trans | -95.1 | 59.4 | 143.6 | -149.6 | -93.3 | 0 | 0 | 0 | 106.2 | L8 N12 | L8-Y10 PolarHBondContact O-N 3.04Å; Y10-N12 PolarHBondContact O-N 2.7Å | ||
| 11 | E | 46.6 | Very low | 51.8 | Low | 160 Ų | 160 | 144 Ų | 144 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | -51.6 | 122.9 | 164.8 | -80.2 | -115.7 | 151.4 | 0 | 0 | 105.6 | L8 A13 | L8-E11 PolarHBondContact O-N 2.89Å; E11-A13 PolarHBondContact O-N 3.24Å | ||
| 12 | N | 45.1 | Very low | 52.7 | Low | 123 Ų | 123 | 139.4 Ų | 139.4 | 66% | 0.658 | 74% | 0.735 | S | S | * | * | trans | -61.7 | 72.7 | -177.5 | -161 | -17.7 | 0 | 0 | 0 | 108 | Y10 R14 | Y10-N12 PolarHBondContact O-N 2.7Å; N12-R14 PolarHBondContact O-N 3.46Å | ||
| 13 | A | 47 | Very low | 53.8 | Low | 77 Ų | 77 | 143.4 Ų | 143.4 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | trans | -68.5 | 84 | 171.3 | 0 | 0 | 0 | 0 | 0 | 104.9 | E11 Q15 | E11-A13 PolarHBondContact O-N 3.24Å; A13-Q15 HydrophobicContact CB-CG 4.45Å; A13-Q15 PolarHBondContact O-N 2.72Å | ||
| 14 | R | 47.9 | Very low | 54.5 | Low | 219 Ų | 219 | 141 Ų | 141 | 83% | 0.826 | 72% | 0.716 | S | S | * | * | trans | -65.3 | 61.7 | 160.6 | -65 | -174.5 | 179.6 | 172.4 | -0.5 | 107.6 | N12 S16 | N12-R14 PolarHBondContact O-N 3.46Å; R14-S16 VanDerWaalsContact C-N 3.26Å; R14-S16 PolarHBondContact O-N 3.49Å | ||
| 15 | Q | 56.7 | Low | 55.2 | Low | 162 Ų | 162 | 136.2 Ų | 136.2 | 76% | 0.757 | 69% | 0.689 | S | S | * | * | trans | -65.4 | 101.9 | 158 | -75.3 | -177.1 | -17.8 | 0 | 0 | 103.9 | A13 L17 | A13-Q15 HydrophobicContact CB-CG 4.45Å; A13-Q15 PolarHBondContact O-N 2.72Å; Q15-L17 VanDerWaalsContact C-N 3.34Å; Q15-L17 PolarHBondContact O-N 2.99Å | ||
| 16 | S | 58.8 | Low | 56.2 | Low | 110 Ų | 110 | 133.1 Ų | 133.1 | 77% | 0.769 | 68% | 0.677 | S | S | * | * | trans | -51.2 | 106 | 165.9 | 169.6 | 0 | 0 | 0 | 0 | 106.4 | R14 P18 | R14-S16 VanDerWaalsContact C-N 3.26Å; R14-S16 PolarHBondContact O-N 3.49Å; S16-P18 VanDerWaalsContact O-N 3.17Å | ||
| 17 | L | 62.8 | Low | 57.5 | Low | 140 Ų | 140 | 130.6 Ų | 130.6 | 73% | 0.733 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 124.1 | 170 | -70.2 | 171.6 | 0 | 0 | 0 | 106.1 | Q15 I19 | Q15-L17 VanDerWaalsContact C-N 3.34Å; Q15-L17 PolarHBondContact O-N 2.99Å; L17-I19 PolarHBondContact O-N 2.76Å |
| 18 | P | 66.1 | Low | 59.1 | Low | 95 Ų | 95 | 128 Ų | 128 | 62% | 0.617 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 133.7 | 178.2 | 24.3 | -32.6 | 0 | 0 | 0 | 107.7 | S16 P20 | S16-P18 VanDerWaalsContact O-N 3.17Å; P18-P20 VanDerWaalsContact O-CD 3.26Å; P18-P20 WeakPolarHBondContact O-CD 3.26Å; P18-P20 VanDerWaalsContact O-N 3.1Å |
| 19 | I | 66.4 | Low | 60.9 | Low | 145 Ų | 145 | 123.9 Ų | 123.9 | 74% | 0.744 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 121.7 | 176.8 | -58.7 | 176.7 | 0 | 0 | 0 | 106.6 | L17 Q21 | L17-I19 PolarHBondContact O-N 2.76Å; I19-Q21 PolarHBondContact O-N 2.87Å |
| 20 | P | 62.7 | Low | 63 | Low | 35 Ų | 35 | 121.8 Ų | 121.8 | 23% | 0.227 | 60% | 0.603 | C | S | . | * | P | Polyproline II helix | trans | -50.6 | 116.5 | 175.6 | -30.4 | 37.9 | 0 | 0 | 0 | 110.1 | P18 E22 S25 H26 L50 | P18-P20 VanDerWaalsContact O-CD 3.26Å; P18-P20 WeakPolarHBondContact O-CD 3.26Å; P18-P20 VanDerWaalsContact O-N 3.1Å; P20-E22 VanDerWaalsContact CB-O 3.27Å; P20-E22 WeakPolarHBondContact CB-O 3.34Å; P20-E22 PolarHBondContact O-N 2.98Å; P20-S25 WeakPolarHBondContact CB-OG 3.27Å; P20-H26 HydrophobicContact CG-CB 4.31Å; P20-L50 HydrophobicContact CB-CD1 4.44Å |
| 21 | Q | 66.3 | Low | 65 | Low | 203 Ų | 203 | 115 Ų | 115 | 95% | 0.949 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -67.4 | -26.5 | 172.6 | -70.7 | -175 | -32.4 | 0 | 0 | 111.1 | I19 | I19-Q21 PolarHBondContact O-N 2.87Š|
| 22 | E | 67 | Low | 66.9 | Low | 145 Ų | 145 | 110 Ų | 110 | 68% | 0.678 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -108.1 | 138.5 | 176.1 | -64.2 | -176.7 | 173.7 | 0 | 0 | 110.3 | P20 F24 S25 | P20-E22 VanDerWaalsContact CB-O 3.27Å; P20-E22 WeakPolarHBondContact CB-O 3.34Å; P20-E22 PolarHBondContact O-N 2.98Å; E22-F24 PolarHBondContact O-N 2.8Å; E22-S25 PolarHBondContact O-N 3.11Å |
| 23 | R | 64.6 | Low | 68.8 | Low | 205 Ų | 205 | 106 Ų | 106 | 77% | 0.774 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 128.5 | 172 | -62.4 | -154.7 | -61.3 | -169.1 | -0.4 | 108 | L50 | R23-L50 HydrophobicContact CB-CD1 4.4Š|
| 24 | F | 62.7 | Low | 70.3 | Confident | 45 Ų | 45 | 107 Ų | 107 | 20% | 0.197 | 55% | 0.549 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 8.1 | 175.5 | -43.4 | -69.9 | 0 | 0 | 0 | 118.1 | E22 H26 R49 F81 I83 | E22-F24 PolarHBondContact O-N 2.8Å; F24-H26 PolarHBondContact O-N 2.77Å; F24-H26 VanDerWaalsContact O-N 3.11Å; F24-R49 HydrophobicContact CD1-CB 4.21Å; F24-R49 HydrophobicContact CD1-CG 4.43Å; F24-R49 HydrophobicContact CE1-CB 4.25Å; F24-F81 HydrophobicContact CE1-CB 4.36Å; F24-F81 WeakPolarHBondContact CE2-O 3.45Å; F24-F81 HydrophobicContact CZ-CB 4.35Å; F24-I83 HydrophobicContact CB-CB 4.16Å; F24-I83 HydrophobicContact CB-CD1 3.82Å; F24-I83 HydrophobicContact CB-CG1 3.56Å; F24-I83 HydrophobicContact CB-CG2 3.93Å; F24-I83 HydrophobicContact CD1-CD1 3.99Å; F24-I83 HydrophobicContact CD1-CG1 4.16Å; F24-I83 HydrophobicContact CD2-CG1 4.5Å; F24-I83 HydrophobicContact CG-CD1 4.12Å; F24-I83 HydrophobicContact CG-CG1 3.85Å; F24-I83 VanDerWaalsContact O-CG2 3.29Å; F24-I83 WeakPolarHBondContact O-CG2 3.46Å |
| 25 | S | 66.5 | Low | 72.1 | Confident | 60 Ų | 60 | 100 Ų | 100 | 42% | 0.42 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -63.9 | -20.6 | 175.5 | 69.9 | 0 | 0 | 0 | 0 | 113.6 | P20 E22 | P20-S25 WeakPolarHBondContact CB-OG 3.27Å; E22-S25 PolarHBondContact O-N 3.11Å |
| 26 | H | 69.7 | Low | 73.7 | Confident | 112 Ų | 112 | 97.9 Ų | 97.9 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | trans | -132.9 | 133.4 | 174.3 | -62.2 | 77.4 | 0 | 0 | 0 | 109.9 | P20 F24 | P20-H26 HydrophobicContact CG-CB 4.31Å; F24-H26 PolarHBondContact O-N 2.77Å; F24-H26 VanDerWaalsContact O-N 3.11Å | ||
| 27 | V | 73.4 | Confident | 74.8 | Confident | 42 Ų | 42 | 103 Ų | 103 | 26% | 0.255 | 53% | 0.53 | S | S | . | . | trans | -118.5 | 123.8 | 169.9 | -176.7 | 0 | 0 | 0 | 0 | 107.1 | I29 M47 R49 I83 | V27-I29 HydrophobicContact CG1-CG1 3.95Å; V27-M47 HydrophobicContact CG1-CB 4.36Å; V27-R49 HydrophobicContact CB-CG 4.35Å; V27-R49 HydrophobicContact CG1-CG 3.76Å; V27-R49 HydrophobicContact CG2-CG 3.93Å; V27-I83 HydrophobicContact CG2-CD1 3.61Å | ||
| 28 | H | 79.5 | Confident | 75.8 | Confident | 113 Ų | 113 | 100.1 Ų | 100.1 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 119 | 173.3 | -177.1 | -126.7 | 0 | 0 | 0 | 108.3 | M47 Q48 | H28-M47 CarbonylContact O-C 3.57Å; H28-M47 WeakPolarHBondContact O-CA 3.41Å; H28-Q48 HydrophobicContact CB-CB 4.3Å; H28-Q48 PolarHBondContact N-O 2.88Å; H28-Q48 PolarHBondContact O-N 3.4Å |
| 29 | I | 82.8 | Confident | 76.7 | Confident | 74 Ų | 74 | 107 Ų | 107 | 38% | 0.379 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.9 | 179.6 | -55.1 | 175.7 | 0 | 0 | 0 | 107.3 | V27 L45 T46 M47 V74 | V27-I29 HydrophobicContact CG1-CG1 3.95Å; I29-L45 HydrophobicContact CG2-CD1 3.46Å; I29-L45 VanDerWaalsContact CG2-CD1 3.46Å; I29-L45 HydrophobicContact CG2-CG 4.28Å; I29-T46 CarbonylContact C-O 3.59Å; I29-T46 WeakPolarHBondContact CA-O 3.35Å; I29-M47 HydrophobicContact CD1-SD 4.22Å; I29-M47 HydrophobicContact CG1-CG 4.01Å; I29-M47 HydrophobicContact CG1-SD 4.23Å; I29-M47 HydrophobicContact CG2-CG 4.16Å; I29-V74 HydrophobicContact CD1-CB 4.46Å; I29-V74 HydrophobicContact CD1-CG1 3.76Å; I29-V74 HydrophobicContact CD1-CG2 3.77Å |
| 30 | D | 86.3 | Confident | 77.5 | Confident | 80 Ų | 80 | 102.9 Ų | 102.9 | 43% | 0.428 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 151.6 | 179.3 | -174.2 | 25.4 | 0 | 0 | 0 | 110.8 | T46 | D30-T46 WeakPolarHBondContact CB-OG1 3.29Å; D30-T46 PolarHBondContact N-O 2.74Å; D30-T46 PolarHBondContact O-N 2.89Å; D30-T46 PolarHBondContact O-OG1 3.14Å; D30-T46 VanDerWaalsContact O-OG1 3.14Å |
| 31 | I | 85.9 | Confident | 78.5 | Confident | 69 Ų | 69 | 106.6 Ų | 106.6 | 35% | 0.354 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116 | 179.4 | -65.8 | 178.9 | 0 | 0 | 0 | 108.1 | Y43 L44 L45 L61 L70 | I31-Y43 HydrophobicContact CG2-CD1 3.97Å; I31-L44 CarbonylContact C-O 3.5Å; I31-L44 WeakPolarHBondContact CA-O 3.27Å; I31-L45 HydrophobicContact CG1-CD1 3.93Å; I31-L61 HydrophobicContact CD1-CD1 4.07Å; I31-L61 HydrophobicContact CG2-CD1 3.66Å; I31-L70 HydrophobicContact CD1-CD1 4.41Å |
| 32 | V | 86.1 | Confident | 79.5 | Confident | 57 Ų | 57 | 97.6 Ų | 97.6 | 35% | 0.345 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 118.6 | 176.2 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | L35 Y43 L44 T46 | V32-L35 HydrophobicContact CG1-CD1 4.29Å; V32-L35 HydrophobicContact CG1-CD2 4.29Å; V32-L35 HydrophobicContact CG1-CG 4.47Å; V32-Y43 CarbonylContact O-C 3.55Å; V32-Y43 VanDerWaalsContact O-CA 3.3Å; V32-Y43 WeakPolarHBondContact O-CA 3.35Å; V32-L44 HydrophobicContact CB-CB 4.24Å; V32-L44 PolarHBondContact N-O 3.19Å; V32-L44 PolarHBondContact O-N 3.38Å; V32-T46 HydrophobicContact CG2-CG2 3.95Å |
| 33 | G | 86 | Confident | 80.4 | Confident | 39 Ų | 39 | 92.8 Ų | 92.8 | 40% | 0.402 | 47% | 0.474 | S | S | . | . | trans | 162.1 | 179.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 34 | P | 78.7 | Confident | 81.3 | Confident | 98 Ų | 98 | 85.7 Ų | 85.7 | 64% | 0.636 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | cis | -79.5 | 127.1 | 5 | 30 | -33.3 | 0 | 0 | 0 | 113.1 | S42 Y43 | P34-S42 CarbonylContact C-O 3.56Å; P34-S42 WeakPolarHBondContact CA-O 3.43Å; P34-Y43 HydrophobicContact CB-CE1 4.05Å |
| 35 | L | 86.2 | Confident | 82.4 | Confident | 71 Ų | 71 | 83.7 Ų | 83.7 | 37% | 0.372 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 158.4 | 173.9 | -63.4 | 172.6 | 0 | 0 | 0 | 110.8 | V32 R37 S42 L44 | V32-L35 HydrophobicContact CG1-CD1 4.29Å; V32-L35 HydrophobicContact CG1-CD2 4.29Å; V32-L35 HydrophobicContact CG1-CG 4.47Å; L35-R37 PolarHBondContact O-N 3.3Å; L35-S42 PolarHBondContact N-O 3.06Å; L35-L44 HydrophobicContact CD1-CD1 3.57Å; L35-L44 HydrophobicContact CD1-CG 3.81Å |
| 36 | P | 88.3 | Confident | 83.3 | Confident | 118 Ų | 118 | 81.8 Ų | 81.8 | 77% | 0.766 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -50.4 | 129.2 | 169.5 | -25.4 | 34.2 | 0 | 0 | 0 | 110.4 | S38 | P36-S38 PolarHBondContact O-N 2.97Å; P36-S38 VanDerWaalsContact O-N 3.13Å |
| 37 | R | 82.7 | Confident | 84 | Confident | 217 Ų | 217 | 76.5 Ų | 76.5 | 82% | 0.819 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 121.9 | -175.1 | -70.4 | -174.7 | -165.8 | 164.5 | 4.4 | 110.1 | L35 Y41 | L35-R37 PolarHBondContact O-N 3.3Å; R37-Y41 WeakPolarHBondContact CA-O 3.42Å |
| 38 | S | 84.4 | Confident | 84.2 | Confident | 80 Ų | 80 | 79.5 Ų | 79.5 | 56% | 0.559 | 42% | 0.415 | S | S | * | . | B | Isolated β-bridge | trans | -122 | 117.6 | 170.7 | -174.9 | 0 | 0 | 0 | 0 | 108.5 | P36 G40 Y41 | P36-S38 PolarHBondContact O-N 2.97Å; P36-S38 VanDerWaalsContact O-N 3.13Å; S38-G40 PolarHBondContact O-N 3.24Å; S38-G40 VanDerWaalsContact O-N 3.08Å; S38-Y41 PolarHBondContact N-O 2.92Å; S38-Y41 VanDerWaalsContact N-O 3.08Å; S38-Y41 PolarHBondContact O-N 2.9Å |
| 39 | R | 85.2 | Confident | 83.8 | Confident | 240 Ų | 240 | 74.3 Ų | 74.3 | 91% | 0.906 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 29.7 | -178.7 | -55.7 | -178 | 178 | -172.4 | -1 | 115 | Y41 | R39-Y41 HydrophobicContact CB-CD2 4.32Š|
| 40 | G | 82.4 | Confident | 83.3 | Confident | 58 Ų | 58 | 75.3 Ų | 75.3 | 60% | 0.598 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | 0.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S38 | S38-G40 PolarHBondContact O-N 3.24Å; S38-G40 VanDerWaalsContact O-N 3.08Å |
| 41 | Y | 84.6 | Confident | 82.4 | Confident | 113 Ų | 113 | 83.6 Ų | 83.6 | 44% | 0.443 | 42% | 0.422 | S | S | . | . | B | Isolated β-bridge | trans | -99.2 | 137.3 | 174.3 | -57.8 | -82.4 | 0 | 0 | 0 | 110.5 | R37 S38 R39 P57 L58 | R37-Y41 WeakPolarHBondContact CA-O 3.42Å; S38-Y41 PolarHBondContact N-O 2.92Å; S38-Y41 VanDerWaalsContact N-O 3.08Å; S38-Y41 PolarHBondContact O-N 2.9Å; R39-Y41 HydrophobicContact CB-CD2 4.32Å; Y41-P57 HydrophobicContact CD1-CB 3.7Å; Y41-P57 HydrophobicContact CD1-CG 4.35Å; Y41-P57 HydrophobicContact CD2-CB 4.32Å; Y41-P57 HydrophobicContact CE1-CB 4.23Å; Y41-P57 HydrophobicContact CE1-CG 4.38Å; Y41-P57 HydrophobicContact CG-CB 3.75Å; Y41-L58 WeakPolarHBondContact CA-O 3.22Å |
| 42 | S | 86 | Confident | 81.8 | Confident | 13 Ų | 13 | 82.2 Ų | 82.2 | 9% | 0.091 | 42% | 0.419 | C | S | . | . | trans | -131.3 | -6.2 | -179.8 | 62 | 0 | 0 | 0 | 0 | 113.4 | P34 L35 L58 | P34-S42 CarbonylContact C-O 3.56Å; P34-S42 WeakPolarHBondContact CA-O 3.43Å; L35-S42 PolarHBondContact N-O 3.06Å; S42-L58 PolarHBondContact N-O 2.93Å | ||
| 43 | Y | 86 | Confident | 81.4 | Confident | 45 Ų | 45 | 82.7 Ų | 82.7 | 18% | 0.176 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 151.8 | 177.9 | -64 | -87.6 | 0 | 0 | 0 | 109.2 | I31 V32 P34 L58 G59 L61 | I31-Y43 HydrophobicContact CG2-CD1 3.97Å; V32-Y43 CarbonylContact O-C 3.55Å; V32-Y43 VanDerWaalsContact O-CA 3.3Å; V32-Y43 WeakPolarHBondContact O-CA 3.35Å; P34-Y43 HydrophobicContact CB-CE1 4.05Å; Y43-L58 PolarHBondContact N-O 2.65Å; Y43-L58 VanDerWaalsContact N-O 3.07Å; Y43-L58 PolarHBondContact O-N 3.49Å; Y43-G59 WeakPolarHBondContact CD2-O 3.34Å; Y43-L61 HydrophobicContact CD1-CD1 3.72Å; Y43-L61 HydrophobicContact CD1-CG 4.43Å; Y43-L61 HydrophobicContact CD2-CD1 4.07Å; Y43-L61 HydrophobicContact CD2-CG 3.89Å; Y43-L61 HydrophobicContact CE1-CD1 4.05Å; Y43-L61 HydrophobicContact CE2-CD1 4.37Å; Y43-L61 HydrophobicContact CE2-CG 4.26Å; Y43-L61 HydrophobicContact CG-CD1 3.74Å; Y43-L61 HydrophobicContact CG-CG 3.98Å |
| 44 | L | 85 | Confident | 81.2 | Confident | 56 Ų | 56 | 82.5 Ų | 82.5 | 29% | 0.293 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 121.8 | 170.4 | -66.2 | 170.5 | 0 | 0 | 0 | 108.1 | I31 V32 L35 P57 | I31-L44 CarbonylContact C-O 3.5Å; I31-L44 WeakPolarHBondContact CA-O 3.27Å; V32-L44 HydrophobicContact CB-CB 4.24Å; V32-L44 PolarHBondContact N-O 3.19Å; V32-L44 PolarHBondContact O-N 3.38Å; L35-L44 HydrophobicContact CD1-CD1 3.57Å; L35-L44 HydrophobicContact CD1-CG 3.81Å; L44-P57 HydrophobicContact CD2-CB 4.17Å |
| 45 | L | 85.3 | Confident | 81.5 | Confident | 2 Ų | 2 | 84.1 Ų | 84.1 | 1% | 0.01 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 129.2 | 160.5 | -167.9 | 62.7 | 0 | 0 | 0 | 108 | I29 I31 M47 F55 F56 L58 L70 K73 V74 | I29-L45 HydrophobicContact CG2-CD1 3.46Å; I29-L45 VanDerWaalsContact CG2-CD1 3.46Å; I29-L45 HydrophobicContact CG2-CG 4.28Å; I31-L45 HydrophobicContact CG1-CD1 3.93Å; L45-M47 HydrophobicContact CD2-CE 4.35Å; L45-M47 HydrophobicContact CD2-CG 4.15Å; L45-M47 HydrophobicContact CD2-SD 4.27Å; L45-M47 HydrophobicContact CG-CG 4.17Å; L45-F55 CarbonylContact O-C 3.54Å; L45-F55 WeakPolarHBondContact O-CA 3.39Å; L45-F56 HydrophobicContact CB-CB 3.99Å; L45-F56 HydrophobicContact CB-CD2 4.3Å; L45-F56 HydrophobicContact CD2-CD2 4.02Å; L45-F56 HydrophobicContact CG-CD2 4.45Å; L45-F56 PolarHBondContact N-O 2.88Å; L45-F56 PolarHBondContact O-N 2.84Å; L45-L58 HydrophobicContact CB-CD1 3.96Å; L45-L58 HydrophobicContact CB-CG 4.25Å; L45-L70 HydrophobicContact CB-CD2 4.26Å; L45-L70 HydrophobicContact CD1-CD2 3.54Å; L45-L70 HydrophobicContact CD2-CD2 3.67Å; L45-L70 HydrophobicContact CG-CD2 4.01Å; L45-K73 HydrophobicContact CD2-CB 4.44Å; L45-V74 HydrophobicContact CD2-CG2 4.43Å |
| 46 | T | 85.7 | Confident | 81.5 | Confident | 20 Ų | 20 | 82.8 Ų | 82.8 | 12% | 0.123 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131 | 168.9 | 65.1 | 0 | 0 | 0 | 0 | 108 | I29 D30 V32 D54 F55 | I29-T46 CarbonylContact C-O 3.59Å; I29-T46 WeakPolarHBondContact CA-O 3.35Å; D30-T46 WeakPolarHBondContact CB-OG1 3.29Å; D30-T46 PolarHBondContact N-O 2.74Å; D30-T46 PolarHBondContact O-N 2.89Å; D30-T46 PolarHBondContact O-OG1 3.14Å; D30-T46 VanDerWaalsContact O-OG1 3.14Å; V32-T46 HydrophobicContact CG2-CG2 3.95Å; T46-D54 WeakPolarHBondContact CA-O 3.39Å; T46-F55 HydrophobicContact CG2-CD1 3.64Å; T46-F55 HydrophobicContact CG2-CE1 3.69Å |
| 47 | M | 83.2 | Confident | 81.2 | Confident | 2 Ų | 2 | 80.3 Ų | 80.3 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 109.5 | 173.7 | -65.3 | -161.5 | -76.3 | 0 | 0 | 108.1 | V27 H28 I29 L45 V53 D54 F56 V74 | V27-M47 HydrophobicContact CG1-CB 4.36Å; H28-M47 CarbonylContact O-C 3.57Å; H28-M47 WeakPolarHBondContact O-CA 3.41Å; I29-M47 HydrophobicContact CD1-SD 4.22Å; I29-M47 HydrophobicContact CG1-CG 4.01Å; I29-M47 HydrophobicContact CG1-SD 4.23Å; I29-M47 HydrophobicContact CG2-CG 4.16Å; L45-M47 HydrophobicContact CD2-CE 4.35Å; L45-M47 HydrophobicContact CD2-CG 4.15Å; L45-M47 HydrophobicContact CD2-SD 4.27Å; L45-M47 HydrophobicContact CG-CG 4.17Å; M47-V53 WeakPolarHBondContact O-CA 3.43Å; M47-D54 HydrophobicContact CB-CB 4.42Å; M47-D54 PolarHBondContact N-O 2.75Å; M47-D54 PolarHBondContact O-N 3.12Å; M47-F56 HydrophobicContact CE-CD2 3.87Å; M47-F56 HydrophobicContact CE-CE2 3.15Å; M47-F56 HydrophobicContact CE-CZ 3.8Å; M47-V74 HydrophobicContact SD-CB 4.28Å; M47-V74 HydrophobicContact SD-CG2 3.76Å |
| 48 | Q | 78 | Confident | 81.2 | Confident | 104 Ų | 104 | 70 Ų | 70 | 49% | 0.486 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 120 | 176 | 179.2 | 173.6 | -0 | 0 | 0 | 109.9 | H28 V53 | H28-Q48 HydrophobicContact CB-CB 4.3Å; H28-Q48 PolarHBondContact N-O 2.88Å; H28-Q48 PolarHBondContact O-N 3.4Å; Q48-V53 HydrophobicContact CB-CG2 4.24Å; Q48-V53 HydrophobicContact CG-CG2 4.04Å |
| 49 | R | 71.2 | Confident | 80.9 | Confident | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.015 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 154.5 | 166.5 | -63.7 | -179.6 | -70.9 | 117.6 | 3.8 | 106.9 | F24 V27 W51 C52 D54 F81 | F24-R49 HydrophobicContact CD1-CB 4.21Å; F24-R49 HydrophobicContact CD1-CG 4.43Å; F24-R49 HydrophobicContact CE1-CB 4.25Å; V27-R49 HydrophobicContact CB-CG 4.35Å; V27-R49 HydrophobicContact CG1-CG 3.76Å; V27-R49 HydrophobicContact CG2-CG 3.93Å; R49-W51 PolarHBondContact O-N 2.87Å; R49-C52 PolarHBondContact N-O 3.48Å; R49-C52 PolarHBondContact NH2-SG 3.22Å; R49-C52 PolarHBondContact O-N 2.92Å; R49-C52 VanDerWaalsContact O-O 3.09Å; R49-D54 IonicContact CZ-OD2 3.57Å; R49-D54 IonicContact NE-OD2 3.55Å; R49-D54 IonicContact NH2-OD2 2.74Å; R49-D54 PolarHBondContact NH2-OD2 3.48Å; R49-F81 VanDerWaalsContact CZ-CG 3.46Å |
| 50 | L | 71.3 | Confident | 80.3 | Confident | 96 Ų | 96 | 61.1 Ų | 61.1 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -36.3 | -32.6 | -170.8 | -75.3 | 141.7 | 0 | 0 | 0 | 116.2 | P20 R23 | P20-L50 HydrophobicContact CB-CD1 4.44Å; R23-L50 HydrophobicContact CB-CD1 4.4Å |
| 51 | W | 68.3 | Low | 79.6 | Confident | 253 Ų | 253 | 59.8 Ų | 59.8 | 96% | 0.958 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.2 | -3.5 | 176.9 | -166.2 | -99.4 | 0 | 0 | 0 | 115.3 | R49 | R49-W51 PolarHBondContact O-N 2.87Š|
| 52 | C | 72.4 | Confident | 78.8 | Confident | 41 Ų | 41 | 60.2 Ų | 60.2 | 28% | 0.277 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 125.7 | -171.4 | -172 | 0 | 0 | 0 | 0 | 110.1 | R49 | R49-C52 PolarHBondContact N-O 3.48Å; R49-C52 PolarHBondContact NH2-SG 3.22Å; R49-C52 PolarHBondContact O-N 2.92Å; R49-C52 VanDerWaalsContact O-O 3.09Å |
| 53 | V | 78.8 | Confident | 78.2 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 40% | 0.4 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 116.2 | 172 | -173.8 | 0 | 0 | 0 | 0 | 107.9 | M47 Q48 F55 | M47-V53 WeakPolarHBondContact O-CA 3.43Å; Q48-V53 HydrophobicContact CB-CG2 4.24Å; Q48-V53 HydrophobicContact CG-CG2 4.04Å; V53-F55 HydrophobicContact CB-CE2 4.07Å; V53-F55 HydrophobicContact CB-CZ 4.31Å; V53-F55 HydrophobicContact CG1-CD2 4.29Å; V53-F55 HydrophobicContact CG1-CE1 4.1Å; V53-F55 HydrophobicContact CG1-CE2 3.56Å; V53-F55 HydrophobicContact CG1-CZ 3.44Å; V53-F55 VanDerWaalsContact CG1-CZ 3.44Å |
| 54 | D | 82.6 | Confident | 77.9 | Confident | 36 Ų | 36 | 63.8 Ų | 63.8 | 19% | 0.193 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 137.2 | 176.1 | -61.7 | -60.2 | 0 | 0 | 0 | 109.9 | T46 M47 R49 F56 | T46-D54 WeakPolarHBondContact CA-O 3.39Å; M47-D54 HydrophobicContact CB-CB 4.42Å; M47-D54 PolarHBondContact N-O 2.75Å; M47-D54 PolarHBondContact O-N 3.12Å; R49-D54 IonicContact CZ-OD2 3.57Å; R49-D54 IonicContact NE-OD2 3.55Å; R49-D54 IonicContact NH2-OD2 2.74Å; R49-D54 PolarHBondContact NH2-OD2 3.48Å; D54-F56 HydrophobicContact CB-CD2 4.44Å; D54-F56 HydrophobicContact CB-CE2 3.43Å; D54-F56 VanDerWaalsContact CB-CE2 3.43Å; D54-F56 HydrophobicContact CB-CZ 3.79Å |
| 55 | F | 84.7 | Confident | 77.5 | Confident | 131 Ų | 131 | 68.5 Ų | 68.5 | 58% | 0.575 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 125.5 | 179.5 | -61.7 | -91.2 | 0 | 0 | 0 | 110.2 | L45 T46 V53 | L45-F55 CarbonylContact O-C 3.54Å; L45-F55 WeakPolarHBondContact O-CA 3.39Å; T46-F55 HydrophobicContact CG2-CD1 3.64Å; T46-F55 HydrophobicContact CG2-CE1 3.69Å; V53-F55 HydrophobicContact CB-CE2 4.07Å; V53-F55 HydrophobicContact CB-CZ 4.31Å; V53-F55 HydrophobicContact CG1-CD2 4.29Å; V53-F55 HydrophobicContact CG1-CE1 4.1Å; V53-F55 HydrophobicContact CG1-CE2 3.56Å; V53-F55 HydrophobicContact CG1-CZ 3.44Å; V53-F55 VanDerWaalsContact CG1-CZ 3.44Å |
| 56 | F | 84.8 | Confident | 76.9 | Confident | 43 Ų | 43 | 69.5 Ų | 69.5 | 19% | 0.189 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 118.3 | 176.4 | -52.7 | -90.2 | 0 | 0 | 0 | 110.5 | L45 M47 D54 L58 K73 | L45-F56 HydrophobicContact CB-CB 3.99Å; L45-F56 HydrophobicContact CB-CD2 4.3Å; L45-F56 HydrophobicContact CD2-CD2 4.02Å; L45-F56 HydrophobicContact CG-CD2 4.45Å; L45-F56 PolarHBondContact N-O 2.88Å; L45-F56 PolarHBondContact O-N 2.84Å; M47-F56 HydrophobicContact CE-CD2 3.87Å; M47-F56 HydrophobicContact CE-CE2 3.15Å; M47-F56 HydrophobicContact CE-CZ 3.8Å; D54-F56 HydrophobicContact CB-CD2 4.44Å; D54-F56 HydrophobicContact CB-CE2 3.43Å; D54-F56 VanDerWaalsContact CB-CE2 3.43Å; D54-F56 HydrophobicContact CB-CZ 3.79Å; F56-L58 PolarHBondContact O-N 3.35Å; F56-K73 HydrophobicContact CD1-CD 3.71Å; F56-K73 HydrophobicContact CD1-CG 4.17Å; F56-K73 HydrophobicContact CE1-CD 3.9Å; F56-K73 HydrophobicContact CG-CD 4.42Å; F56-K73 HydrophobicContact CG-CG 4.4Å |
| 57 | P | 82.9 | Confident | 76.5 | Confident | 66 Ų | 66 | 73.3 Ų | 73.3 | 43% | 0.429 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 131 | 174.5 | 30.8 | -34.4 | 0 | 0 | 0 | 110.3 | Y41 L44 | Y41-P57 HydrophobicContact CD1-CB 3.7Å; Y41-P57 HydrophobicContact CD1-CG 4.35Å; Y41-P57 HydrophobicContact CD2-CB 4.32Å; Y41-P57 HydrophobicContact CE1-CB 4.23Å; Y41-P57 HydrophobicContact CE1-CG 4.38Å; Y41-P57 HydrophobicContact CG-CB 3.75Å; L44-P57 HydrophobicContact CD2-CB 4.17Å |
| 58 | L | 81.7 | Confident | 76.4 | Confident | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 141.3 | 180 | -60.4 | 178.6 | 0 | 0 | 0 | 110.3 | Y41 S42 Y43 L45 F56 L61 L69 L70 | Y41-L58 WeakPolarHBondContact CA-O 3.22Å; S42-L58 PolarHBondContact N-O 2.93Å; Y43-L58 PolarHBondContact N-O 2.65Å; Y43-L58 VanDerWaalsContact N-O 3.07Å; Y43-L58 PolarHBondContact O-N 3.49Å; L45-L58 HydrophobicContact CB-CD1 3.96Å; L45-L58 HydrophobicContact CB-CG 4.25Å; F56-L58 PolarHBondContact O-N 3.35Å; L58-L61 HydrophobicContact CB-CD2 4.24Å; L58-L61 HydrophobicContact CD1-CD2 3.57Å; L58-L69 HydrophobicContact CD2-CD2 4.43Å; L58-L70 HydrophobicContact CD1-CD1 4.32Å; L58-L70 HydrophobicContact CD1-CD2 3.29Å; L58-L70 HydrophobicContact CD1-CG 3.93Å; L58-L70 HydrophobicContact CD2-CD2 4Å; L58-L70 HydrophobicContact CD2-CG 4.32Å; L58-L70 HydrophobicContact CG-CD2 4.25Å |
| 59 | G | 78.5 | Confident | 76.6 | Confident | 8 Ų | 8 | 75.5 Ų | 75.5 | 8% | 0.082 | 38% | 0.378 | C | S | . | . | trans | -76.1 | -160.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y43 L61 Q66 | Y43-G59 WeakPolarHBondContact CD2-O 3.34Å; G59-L61 PolarHBondContact O-N 3.46Å; G59-L61 VanDerWaalsContact O-N 3.13Å; G59-Q66 VanDerWaalsContact N-OE1 3.12Å | ||
| 60 | F | 72.6 | Confident | 77.1 | Confident | 125 Ų | 125 | 76.6 Ų | 76.6 | 55% | 0.548 | 38% | 0.384 | S | S | . | . | trans | -62.1 | 112.7 | 178.5 | -166.4 | -113.6 | 0 | 0 | 0 | 112.2 | D62 S63 Q66 | F60-D62 HydrophobicContact CD1-CB 3.78Å; F60-D62 HydrophobicContact CE1-CB 3.44Å; F60-D62 VanDerWaalsContact CE1-CB 3.44Å; F60-D62 WeakPolarHBondContact CE1-OD2 3.42Å; F60-D62 HydrophobicContact CZ-CB 4.17Å; F60-D62 WeakPolarHBondContact CZ-OD2 3.45Å; F60-D62 PolarHBondContact O-N 2.81Å; F60-D62 VanDerWaalsContact O-N 3.14Å; F60-S63 PolarHBondContact O-N 2.85Å; F60-Q66 WeakPolarHBondContact O-CG 3.3Å | ||
| 61 | L | 68.8 | Low | 77.6 | Confident | 31 Ų | 31 | 80 Ų | 80 | 16% | 0.162 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -15.7 | -170.8 | -71.4 | 174.3 | 0 | 0 | 0 | 115.4 | I31 Y43 L58 G59 S63 Q66 L70 | I31-L61 HydrophobicContact CD1-CD1 4.07Å; I31-L61 HydrophobicContact CG2-CD1 3.66Å; Y43-L61 HydrophobicContact CD1-CD1 3.72Å; Y43-L61 HydrophobicContact CD1-CG 4.43Å; Y43-L61 HydrophobicContact CD2-CD1 4.07Å; Y43-L61 HydrophobicContact CD2-CG 3.89Å; Y43-L61 HydrophobicContact CE1-CD1 4.05Å; Y43-L61 HydrophobicContact CE2-CD1 4.37Å; Y43-L61 HydrophobicContact CE2-CG 4.26Å; Y43-L61 HydrophobicContact CG-CD1 3.74Å; Y43-L61 HydrophobicContact CG-CG 3.98Å; L58-L61 HydrophobicContact CB-CD2 4.24Å; L58-L61 HydrophobicContact CD1-CD2 3.57Å; G59-L61 PolarHBondContact O-N 3.46Å; G59-L61 VanDerWaalsContact O-N 3.13Å; L61-S63 PolarHBondContact O-N 3.3Å; L61-Q66 HydrophobicContact CD2-CB 4.43Å; L61-L70 HydrophobicContact CD2-CD1 3.79Å |
| 62 | D | 67.9 | Low | 78.4 | Confident | 121 Ų | 121 | 71.4 Ų | 71.4 | 65% | 0.647 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -10.7 | -176.2 | -61.5 | -18.6 | 0 | 0 | 0 | 113.1 | F60 | F60-D62 HydrophobicContact CD1-CB 3.78Å; F60-D62 HydrophobicContact CE1-CB 3.44Å; F60-D62 VanDerWaalsContact CE1-CB 3.44Å; F60-D62 WeakPolarHBondContact CE1-OD2 3.42Å; F60-D62 HydrophobicContact CZ-CB 4.17Å; F60-D62 WeakPolarHBondContact CZ-OD2 3.45Å; F60-D62 PolarHBondContact O-N 2.81Å; F60-D62 VanDerWaalsContact O-N 3.14Å |
| 63 | S | 72.2 | Confident | 78.9 | Confident | 56 Ų | 56 | 73.4 Ų | 73.4 | 39% | 0.392 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -80.6 | 132.3 | 174.9 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | F60 L61 Y65 Q66 Q67 | F60-S63 PolarHBondContact O-N 2.85Å; L61-S63 PolarHBondContact O-N 3.3Å; S63-Y65 PolarHBondContact O-N 3.13Å; S63-Y65 WeakPolarHBondContact OG-CB 3.3Å; S63-Y65 PolarHBondContact OG-N 2.83Å; S63-Q66 PolarHBondContact O-N 2.8Å; S63-Q67 PolarHBondContact O-N 2.99Å |
| 64 | A | 80.4 | Confident | 79 | Confident | 77 Ų | 77 | 71.7 Ų | 71.7 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -51 | -29.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q67 Q68 | A64-Q67 PolarHBondContact O-N 3.43Å; A64-Q68 WeakPolarHBondContact O-CB 3.48Å; A64-Q68 PolarHBondContact O-N 2.77Å |
| 65 | Y | 76.4 | Confident | 79 | Confident | 156 Ų | 156 | 72.4 Ų | 72.4 | 61% | 0.612 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.9 | -42.5 | 173.5 | 178.2 | -96.6 | 0 | 0 | 0 | 112.6 | S63 Q68 L69 | S63-Y65 PolarHBondContact O-N 3.13Å; S63-Y65 WeakPolarHBondContact OG-CB 3.3Å; S63-Y65 PolarHBondContact OG-N 2.83Å; Y65-Q68 PolarHBondContact O-N 3.46Å; Y65-L69 HydrophobicContact CE1-CD2 4.46Å; Y65-L69 VanDerWaalsContact O-CB 3.3Å; Y65-L69 WeakPolarHBondContact O-CB 3.28Å; Y65-L69 PolarHBondContact O-N 2.92Å |
| 66 | Q | 72.3 | Confident | 78.8 | Confident | 22 Ų | 22 | 69.2 Ų | 69.2 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.8 | -35.9 | 178.1 | -68.6 | -61.7 | -50.7 | 0 | 0 | 111.4 | G59 F60 L61 S63 L69 L70 | G59-Q66 VanDerWaalsContact N-OE1 3.12Å; F60-Q66 WeakPolarHBondContact O-CG 3.3Å; L61-Q66 HydrophobicContact CD2-CB 4.43Å; S63-Q66 PolarHBondContact O-N 2.8Å; Q66-L69 PolarHBondContact O-N 3.08Å; Q66-L70 VanDerWaalsContact O-CB 3.3Å; Q66-L70 WeakPolarHBondContact O-CB 3.3Å; Q66-L70 VanDerWaalsContact O-CG 3.24Å; Q66-L70 WeakPolarHBondContact O-CG 3.39Å; Q66-L70 PolarHBondContact O-N 2.89Å |
| 67 | Q | 76.9 | Confident | 78.3 | Confident | 101 Ų | 101 | 67.5 Ų | 67.5 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 172.6 | -64.3 | -172.6 | 17.2 | 0 | 0 | 112.1 | S63 A64 L70 R71 | S63-Q67 PolarHBondContact O-N 2.99Å; A64-Q67 PolarHBondContact O-N 3.43Å; Q67-L70 WeakPolarHBondContact O-CB 3.41Å; Q67-R71 VanDerWaalsContact O-CG 3.28Å; Q67-R71 WeakPolarHBondContact O-CG 3.44Å; Q67-R71 PolarHBondContact O-N 3.5Å |
| 68 | Q | 82.7 | Confident | 77.8 | Confident | 106 Ų | 106 | 68.2 Ų | 68.2 | 50% | 0.495 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66 | -42.7 | 174.2 | -175.6 | 57.4 | 36.9 | 0 | 0 | 111.2 | A64 Y65 L70 R71 T72 | A64-Q68 WeakPolarHBondContact O-CB 3.48Å; A64-Q68 PolarHBondContact O-N 2.77Å; Y65-Q68 PolarHBondContact O-N 3.46Å; Q68-L70 PolarHBondContact O-N 3.34Å; Q68-R71 PolarHBondContact O-N 3.25Å; Q68-T72 PolarHBondContact NE2-OG1 2.8Å; Q68-T72 WeakPolarHBondContact O-CB 3.24Å; Q68-T72 PolarHBondContact O-N 2.78Å; Q68-T72 PolarHBondContact O-OG1 3.05Å; Q68-T72 VanDerWaalsContact O-OG1 3.09Å |
| 69 | L | 82.1 | Confident | 77.6 | Confident | 46 Ų | 46 | 72 Ų | 72 | 24% | 0.241 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 177 | -175.8 | 65.2 | 0 | 0 | 0 | 111.3 | L58 Y65 Q66 T72 K73 | L58-L69 HydrophobicContact CD2-CD2 4.43Å; Y65-L69 HydrophobicContact CE1-CD2 4.46Å; Y65-L69 VanDerWaalsContact O-CB 3.3Å; Y65-L69 WeakPolarHBondContact O-CB 3.28Å; Y65-L69 PolarHBondContact O-N 2.92Å; Q66-L69 PolarHBondContact O-N 3.08Å; L69-T72 PolarHBondContact O-N 3.08Å; L69-K73 HydrophobicContact CD1-CG 4.5Å; L69-K73 HydrophobicContact CG-CG 4.48Å; L69-K73 WeakPolarHBondContact O-CB 3.3Å; L69-K73 VanDerWaalsContact O-CG 3.3Å; L69-K73 WeakPolarHBondContact O-CG 3.43Å; L69-K73 PolarHBondContact O-N 3.49Å |
| 70 | L | 81.4 | Confident | 77.4 | Confident | 27 Ų | 27 | 76.3 Ų | 76.3 | 14% | 0.141 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -52.3 | -55.5 | 172.1 | -83.2 | 173.5 | 0 | 0 | 0 | 110.8 | I31 L45 L58 L61 Q66 Q67 Q68 T72 K73 V74 | I31-L70 HydrophobicContact CD1-CD1 4.41Å; L45-L70 HydrophobicContact CB-CD2 4.26Å; L45-L70 HydrophobicContact CD1-CD2 3.54Å; L45-L70 HydrophobicContact CD2-CD2 3.67Å; L45-L70 HydrophobicContact CG-CD2 4.01Å; L58-L70 HydrophobicContact CD1-CD1 4.32Å; L58-L70 HydrophobicContact CD1-CD2 3.29Å; L58-L70 HydrophobicContact CD1-CG 3.93Å; L58-L70 HydrophobicContact CD2-CD2 4Å; L58-L70 HydrophobicContact CD2-CG 4.32Å; L58-L70 HydrophobicContact CG-CD2 4.25Å; L61-L70 HydrophobicContact CD2-CD1 3.79Å; Q66-L70 VanDerWaalsContact O-CB 3.3Å; Q66-L70 WeakPolarHBondContact O-CB 3.3Å; Q66-L70 VanDerWaalsContact O-CG 3.24Å; Q66-L70 WeakPolarHBondContact O-CG 3.39Å; Q66-L70 PolarHBondContact O-N 2.89Å; Q67-L70 WeakPolarHBondContact O-CB 3.41Å; Q68-L70 PolarHBondContact O-N 3.34Å; L70-T72 VanDerWaalsContact C-N 3.31Å; L70-T72 PolarHBondContact O-N 3.13Å; L70-K73 PolarHBondContact O-N 2.83Å; L70-K73 VanDerWaalsContact O-N 3.13Å; L70-V74 VanDerWaalsContact O-CG2 3.3Å; L70-V74 WeakPolarHBondContact O-CG2 3.3Å; L70-V74 PolarHBondContact O-N 3.26Å |
| 71 | R | 82.2 | Confident | 77.1 | Confident | 167 Ų | 167 | 74.1 Ų | 74.1 | 63% | 0.63 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -56.6 | -44.5 | 178.5 | -71 | 172.5 | -176.6 | -156.9 | 1.2 | 111.9 | Q67 Q68 V74 A75 | Q67-R71 VanDerWaalsContact O-CG 3.28Å; Q67-R71 WeakPolarHBondContact O-CG 3.44Å; Q67-R71 PolarHBondContact O-N 3.5Å; Q68-R71 PolarHBondContact O-N 3.25Å; R71-V74 PolarHBondContact O-N 3.09Å; R71-A75 VanDerWaalsContact O-CB 3.28Å; R71-A75 WeakPolarHBondContact O-CB 3.42Å; R71-A75 PolarHBondContact O-N 3.07Å |
| 72 | T | 84.8 | Confident | 76.9 | Confident | 73 Ų | 73 | 75.4 Ų | 75.4 | 45% | 0.448 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 178.2 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | Q68 L69 L70 S76 | Q68-T72 PolarHBondContact NE2-OG1 2.8Å; Q68-T72 WeakPolarHBondContact O-CB 3.24Å; Q68-T72 PolarHBondContact O-N 2.78Å; Q68-T72 PolarHBondContact O-OG1 3.05Å; Q68-T72 VanDerWaalsContact O-OG1 3.09Å; L69-T72 PolarHBondContact O-N 3.08Å; L70-T72 VanDerWaalsContact C-N 3.31Å; L70-T72 PolarHBondContact O-N 3.13Å; T72-S76 VanDerWaalsContact O-CB 3.22Å; T72-S76 WeakPolarHBondContact O-CB 3.5Å; T72-S76 PolarHBondContact O-N 2.84Å |
| 73 | K | 82.8 | Confident | 76.5 | Confident | 83 Ų | 83 | 70.8 Ų | 70.8 | 36% | 0.361 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.7 | -42.3 | 176.6 | -71.3 | -60.6 | -174.1 | -178.1 | 0 | 111.9 | L45 F56 L69 L70 S76 S77 | L45-K73 HydrophobicContact CD2-CB 4.44Å; F56-K73 HydrophobicContact CD1-CD 3.71Å; F56-K73 HydrophobicContact CD1-CG 4.17Å; F56-K73 HydrophobicContact CE1-CD 3.9Å; F56-K73 HydrophobicContact CG-CD 4.42Å; F56-K73 HydrophobicContact CG-CG 4.4Å; L69-K73 HydrophobicContact CD1-CG 4.5Å; L69-K73 HydrophobicContact CG-CG 4.48Å; L69-K73 WeakPolarHBondContact O-CB 3.3Å; L69-K73 VanDerWaalsContact O-CG 3.3Å; L69-K73 WeakPolarHBondContact O-CG 3.43Å; L69-K73 PolarHBondContact O-N 3.49Å; L70-K73 PolarHBondContact O-N 2.83Å; L70-K73 VanDerWaalsContact O-N 3.13Å; K73-S76 PolarHBondContact O-N 3.31Å; K73-S77 WeakPolarHBondContact O-CB 3.18Å; K73-S77 PolarHBondContact O-N 3.03Å |
| 74 | V | 80.8 | Confident | 75.3 | Confident | 30 Ų | 30 | 77.4 Ų | 77.4 | 18% | 0.182 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -61.6 | -50.7 | 174.1 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | I29 L45 M47 L70 R71 S76 S77 Q78 | I29-V74 HydrophobicContact CD1-CB 4.46Å; I29-V74 HydrophobicContact CD1-CG1 3.76Å; I29-V74 HydrophobicContact CD1-CG2 3.77Å; L45-V74 HydrophobicContact CD2-CG2 4.43Å; M47-V74 HydrophobicContact SD-CB 4.28Å; M47-V74 HydrophobicContact SD-CG2 3.76Å; L70-V74 VanDerWaalsContact O-CG2 3.3Å; L70-V74 WeakPolarHBondContact O-CG2 3.3Å; L70-V74 PolarHBondContact O-N 3.26Å; R71-V74 PolarHBondContact O-N 3.09Å; V74-S76 PolarHBondContact O-N 3.46Å; V74-S77 CarbonylContact O-C 3.59Å; V74-S77 PolarHBondContact O-N 3.26Å; V74-S77 VanDerWaalsContact O-N 3.12Å; V74-Q78 WeakPolarHBondContact O-CG 3.28Å; V74-Q78 PolarHBondContact O-N 2.87Å |
| 75 | A | 82 | Confident | 75.1 | Confident | 50 Ų | 50 | 77.5 Ų | 77.5 | 41% | 0.413 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | R71 S77 Q78 A79 | R71-A75 VanDerWaalsContact O-CB 3.28Å; R71-A75 WeakPolarHBondContact O-CB 3.42Å; R71-A75 PolarHBondContact O-N 3.07Å; A75-S77 VanDerWaalsContact C-N 3.34Å; A75-S77 PolarHBondContact O-N 3.14Å; A75-Q78 PolarHBondContact O-N 3.13Å; A75-A79 WeakPolarHBondContact O-CB 2.87Å; A75-A79 PolarHBondContact O-N 2.85Å |
| 76 | S | 80.9 | Confident | 75 | Confident | 64 Ų | 64 | 73.3 Ų | 73.3 | 45% | 0.448 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 174.5 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | T72 K73 V74 Q78 A79 T80 | T72-S76 VanDerWaalsContact O-CB 3.22Å; T72-S76 WeakPolarHBondContact O-CB 3.5Å; T72-S76 PolarHBondContact O-N 2.84Å; K73-S76 PolarHBondContact O-N 3.31Å; V74-S76 PolarHBondContact O-N 3.46Å; S76-Q78 VanDerWaalsContact C-N 3.3Å; S76-Q78 PolarHBondContact O-N 3.21Å; S76-A79 PolarHBondContact O-N 2.99Å; S76-T80 WeakPolarHBondContact O-CB 3.01Å; S76-T80 PolarHBondContact O-N 3.03Å; S76-T80 PolarHBondContact O-OG1 3.34Å |
| 77 | S | 74.3 | Confident | 75.2 | Confident | 7 Ų | 7 | 76.2 Ų | 76.2 | 5% | 0.049 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -67.9 | -29.7 | 176.2 | -176.6 | 0 | 0 | 0 | 0 | 112.5 | K73 V74 A75 F81 | K73-S77 WeakPolarHBondContact O-CB 3.18Å; K73-S77 PolarHBondContact O-N 3.03Å; V74-S77 CarbonylContact O-C 3.59Å; V74-S77 PolarHBondContact O-N 3.26Å; V74-S77 VanDerWaalsContact O-N 3.12Å; A75-S77 VanDerWaalsContact C-N 3.34Å; A75-S77 PolarHBondContact O-N 3.14Å; S77-F81 VanDerWaalsContact O-CD2 3.27Å; S77-F81 WeakPolarHBondContact O-CD2 3.48Å |
| 78 | Q | 73.2 | Confident | 75.1 | Confident | 81 Ų | 81 | 74.7 Ų | 74.7 | 38% | 0.379 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.2 | -46.5 | 172.6 | -72.5 | 175.1 | -44.2 | 0 | 0 | 110.6 | V74 A75 S76 F81 G82 I83 | V74-Q78 WeakPolarHBondContact O-CG 3.28Å; V74-Q78 PolarHBondContact O-N 2.87Å; A75-Q78 PolarHBondContact O-N 3.13Å; S76-Q78 VanDerWaalsContact C-N 3.3Å; S76-Q78 PolarHBondContact O-N 3.21Å; Q78-F81 PolarHBondContact O-N 3.47Å; Q78-G82 PolarHBondContact O-N 3.24Å; Q78-I83 HydrophobicContact CB-CB 4.02Å; Q78-I83 HydrophobicContact CG-CB 4.13Å; Q78-I83 HydrophobicContact CG-CD1 4.33Å; Q78-I83 HydrophobicContact CG-CG2 4.38Å; Q78-I83 PolarHBondContact O-N 3.39Å |
| 79 | A | 77.1 | Confident | 74.6 | Confident | 82 Ų | 82 | 72.8 Ų | 72.8 | 68% | 0.678 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.7 | -42.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A75 S76 F81 | A75-A79 WeakPolarHBondContact O-CB 2.87Å; A75-A79 PolarHBondContact O-N 2.85Å; S76-A79 PolarHBondContact O-N 2.99Å; A79-F81 PolarHBondContact O-N 2.93Å |
| 80 | T | 74.5 | Confident | 74.1 | Confident | 97 Ų | 97 | 74.5 Ų | 74.5 | 60% | 0.595 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.3 | -27.4 | -178.9 | -60.9 | 0 | 0 | 0 | 0 | 112.7 | S76 | S76-T80 WeakPolarHBondContact O-CB 3.01Å; S76-T80 PolarHBondContact O-N 3.03Å; S76-T80 PolarHBondContact O-OG1 3.34Å |
| 81 | F | 66.3 | Low | 73.6 | Confident | 79 Ų | 79 | 77.9 Ų | 77.9 | 35% | 0.346 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | 11.6 | -170.9 | -64.2 | -89.4 | 0 | 0 | 0 | 114.2 | F24 R49 S77 Q78 A79 I83 | F24-F81 HydrophobicContact CE1-CB 4.36Å; F24-F81 WeakPolarHBondContact CE2-O 3.45Å; F24-F81 HydrophobicContact CZ-CB 4.35Å; R49-F81 VanDerWaalsContact CZ-CG 3.46Å; S77-F81 VanDerWaalsContact O-CD2 3.27Å; S77-F81 WeakPolarHBondContact O-CD2 3.48Å; Q78-F81 PolarHBondContact O-N 3.47Å; A79-F81 PolarHBondContact O-N 2.93Å; F81-I83 VanDerWaalsContact C-N 3.34Å; F81-I83 HydrophobicContact CB-CG1 4.32Å |
| 82 | G | 63.6 | Low | 72.9 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 60% | 0.598 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 33.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q78 C84 | Q78-G82 PolarHBondContact O-N 3.24Å; G82-C84 PolarHBondContact O-N 3.39Å |
| 83 | I | 59.9 | Low | 71.9 | Confident | 25 Ų | 25 | 70.9 Ų | 70.9 | 13% | 0.128 | 46% | 0.458 | C | S | . | . | trans | -83.1 | 98.7 | 172.9 | -40.2 | -172.2 | 0 | 0 | 0 | 106.6 | F24 V27 Q78 F81 | F24-I83 HydrophobicContact CB-CB 4.16Å; F24-I83 HydrophobicContact CB-CD1 3.82Å; F24-I83 HydrophobicContact CB-CG1 3.56Å; F24-I83 HydrophobicContact CB-CG2 3.93Å; F24-I83 HydrophobicContact CD1-CD1 3.99Å; F24-I83 HydrophobicContact CD1-CG1 4.16Å; F24-I83 HydrophobicContact CD2-CG1 4.5Å; F24-I83 HydrophobicContact CG-CD1 4.12Å; F24-I83 HydrophobicContact CG-CG1 3.85Å; F24-I83 VanDerWaalsContact O-CG2 3.29Å; F24-I83 WeakPolarHBondContact O-CG2 3.46Å; V27-I83 HydrophobicContact CG2-CD1 3.61Å; Q78-I83 HydrophobicContact CB-CB 4.02Å; Q78-I83 HydrophobicContact CG-CB 4.13Å; Q78-I83 HydrophobicContact CG-CD1 4.33Å; Q78-I83 HydrophobicContact CG-CG2 4.38Å; Q78-I83 PolarHBondContact O-N 3.39Å; F81-I83 VanDerWaalsContact C-N 3.34Å; F81-I83 HydrophobicContact CB-CG1 4.32Å | ||
| 84 | C | 47.5 | Very low | 70.9 | Confident | 195 Ų | 195 | 69.8 Ų | 69.8 | 100% | 1.318 | 47% | 0.467 | S | S | * | . | trans | -88.9 | 0 | 169.6 | -69.7 | 0 | 0 | 0 | 0 | 110.4 | G82 | G82-C84 PolarHBondContact O-N 3.39Š|
Retrieved 84 of 84 residues in 190.9 ms
(Link to these results)